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PubMed code 24900635

Compile data set for download or QSAR
Found 104 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446266
PNG
(CHEMBL3109212)
Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446270
PNG
(CHEMBL3109194)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C29H22F4N4O3S/c1-2-41(39,40)22-9-6-17(7-10-22)19-13-23-24(16-35-27(23)34-15-19)18-4-3-5-21(12-18)36-28(38)37-26-14-20(29(31,32)33)8-11-25(26)30/h3-16H,2H2,1H3,(H,34,35)(H2,36,37,38)
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446269
PNG
(CHEMBL3109209)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446264
PNG
(CHEMBL3109214)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446269
PNG
(CHEMBL3109209)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446274
PNG
(CHEMBL3109205)
Show SMILES COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446269
PNG
(CHEMBL3109209)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446259
PNG
(CHEMBL3109219)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2/c1-2-13-4-3-5-16(10-13)26-21(27)25-15-8-6-14(7-9-15)17-11-28-20-18(17)19(22)23-12-24-20/h3-12H,2H2,1H3,(H2,22,23,24)(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446278
PNG
(CHEMBL3109202)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1
Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446254
PNG
(CHEMBL3109198)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446267
PNG
(CHEMBL3109211)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C28H20F4N4O3S/c1-40(38,39)21-7-3-4-16(11-21)18-12-22-23(15-34-26(22)33-14-18)17-5-2-6-20(10-17)35-27(37)36-25-13-19(28(30,31)32)8-9-24(25)29/h2-15H,1H3,(H,33,34)(H2,35,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446270
PNG
(CHEMBL3109194)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C29H22F4N4O3S/c1-2-41(39,40)22-9-6-17(7-10-22)19-13-23-24(16-35-27(23)34-15-19)18-4-3-5-21(12-18)36-28(38)37-26-14-20(29(31,32)33)8-11-25(26)30/h3-16H,2H2,1H3,(H,34,35)(H2,36,37,38)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446273
PNG
(CHEMBL3109206)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C28H22N4O2/c1-18(33)20-9-5-11-23(13-20)31-28(34)32-24-12-6-10-21(14-24)26-17-30-27-25(26)15-22(16-29-27)19-7-3-2-4-8-19/h2-17H,1H3,(H,29,30)(H2,31,32,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446268
PNG
(CHEMBL3109210)
Show SMILES NC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C28H19F4N5O2/c29-23-8-7-19(28(30,31)32)12-24(23)37-27(39)36-20-6-2-4-16(10-20)22-14-35-26-21(22)11-18(13-34-26)15-3-1-5-17(9-15)25(33)38/h1-14H,(H2,33,38)(H,34,35)(H2,36,37,39)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446256
PNG
(CHEMBL3109196)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446277
PNG
(CHEMBL3108785)
Show SMILES Cc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O/c1-18-7-5-11-22(13-18)30-27(32)31-23-12-6-10-20(14-23)25-17-29-26-24(25)15-21(16-28-26)19-8-3-2-4-9-19/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446273
PNG
(CHEMBL3109206)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C28H22N4O2/c1-18(33)20-9-5-11-23(13-20)31-28(34)32-24-12-6-10-21(14-24)26-17-30-27-25(26)15-22(16-29-27)19-7-3-2-4-8-19/h2-17H,1H3,(H,29,30)(H2,31,32,34)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446278
PNG
(CHEMBL3109202)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1
Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446276
PNG
(CHEMBL3109203)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C26H19N5O3/c32-26(30-21-10-5-11-22(14-21)31(33)34)29-20-9-4-8-18(12-20)24-16-28-25-23(24)13-19(15-27-25)17-6-2-1-3-7-17/h1-16H,(H,27,28)(H2,29,30,32)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446268
PNG
(CHEMBL3109210)
Show SMILES NC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C28H19F4N5O2/c29-23-8-7-19(28(30,31)32)12-24(23)37-27(39)36-20-6-2-4-16(10-20)22-14-35-26-21(22)11-18(13-34-26)15-3-1-5-17(9-15)25(33)38/h1-14H,(H2,33,38)(H,34,35)(H2,36,37,39)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446264
PNG
(CHEMBL3109214)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446265
PNG
(CHEMBL3109213)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-9-6-18(27(29,30)31)12-24(23)36-26(37)35-20-3-1-2-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-4-7-19(32)8-5-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446257
PNG
(CHEMBL3109221)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)no1
Show InChI InChI=1S/C20H20N6O3/c1-20(2,3)14-8-15(26-29-14)25-19(27)24-12-6-4-11(5-7-12)13-9-28-18-16(13)17(21)22-10-23-18/h4-10H,1-3H3,(H2,21,22,23)(H2,24,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446276
PNG
(CHEMBL3109203)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C26H19N5O3/c32-26(30-21-10-5-11-22(14-21)31(33)34)29-20-9-4-8-18(12-20)24-16-28-25-23(24)13-19(15-27-25)17-6-2-1-3-7-17/h1-16H,(H,27,28)(H2,29,30,32)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446266
PNG
(CHEMBL3109212)
Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446253
PNG
(CHEMBL3109195)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17F3N4O/c24-23(25,26)15-3-1-4-17(13-15)30-22(31)29-16-9-7-14(8-10-16)18-5-2-6-20-19(18)11-12-28-21(20)27/h1-13H,(H2,27,28)(H2,29,30,31)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446277
PNG
(CHEMBL3108785)
Show SMILES Cc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O/c1-18-7-5-11-22(13-18)30-27(32)31-23-12-6-10-20(14-23)25-17-29-26-24(25)15-21(16-28-26)19-8-3-2-4-9-19/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446270
PNG
(CHEMBL3109194)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C29H22F4N4O3S/c1-2-41(39,40)22-9-6-17(7-10-22)19-13-23-24(16-35-27(23)34-15-19)18-4-3-5-21(12-18)36-28(38)37-26-14-20(29(31,32)33)8-11-25(26)30/h3-16H,2H2,1H3,(H,34,35)(H2,36,37,38)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446253
PNG
(CHEMBL3109195)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17F3N4O/c24-23(25,26)15-3-1-4-17(13-15)30-22(31)29-16-9-7-14(8-10-16)18-5-2-6-20-19(18)11-12-28-21(20)27/h1-13H,(H2,27,28)(H2,29,30,31)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446259
PNG
(CHEMBL3109219)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2/c1-2-13-4-3-5-16(10-13)26-21(27)25-15-8-6-14(7-9-15)17-11-28-20-18(17)19(22)23-12-24-20/h3-12H,2H2,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446255
PNG
(CHEMBL3109197)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(F)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-15-10-14(23(25,26)27)11-17(12-15)31-22(32)30-16-6-4-13(5-7-16)18-2-1-3-20-19(18)8-9-29-21(20)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446257
PNG
(CHEMBL3109221)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)no1
Show InChI InChI=1S/C20H20N6O3/c1-20(2,3)14-8-15(26-29-14)25-19(27)24-12-6-4-11(5-7-12)13-9-28-18-16(13)17(21)22-10-23-18/h4-10H,1-3H3,(H2,21,22,23)(H2,24,25,26,27)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446275
PNG
(CHEMBL3109204)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N4O/c28-27(29,30)20-9-5-11-22(14-20)34-26(35)33-21-10-4-8-18(12-21)24-16-32-25-23(24)13-19(15-31-25)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H2,33,34,35)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446265
PNG
(CHEMBL3109213)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-9-6-18(27(29,30)31)12-24(23)36-26(37)35-20-3-1-2-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-4-7-19(32)8-5-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446274
PNG
(CHEMBL3109205)
Show SMILES COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446275
PNG
(CHEMBL3109204)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N4O/c28-27(29,30)20-9-5-11-22(14-20)34-26(35)33-21-10-4-8-18(12-21)24-16-32-25-23(24)13-19(15-31-25)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H2,33,34,35)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446260
PNG
(CHEMBL3109218)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-15-6-5-12(7-14(15)20(22,23)24)29-19(30)28-11-3-1-10(2-4-11)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446266
PNG
(CHEMBL3109212)
Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446280
PNG
(CHEMBL3109200)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446265
PNG
(CHEMBL3109213)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C27H19F4N5O/c28-23-9-6-18(27(29,30)31)12-24(23)36-26(37)35-20-3-1-2-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-4-7-19(32)8-5-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446267
PNG
(CHEMBL3109211)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C28H20F4N4O3S/c1-40(38,39)21-7-3-4-16(11-21)18-12-22-23(15-34-26(22)33-14-18)17-5-2-6-20(10-17)35-27(37)36-25-13-19(28(30,31)32)8-9-24(25)29/h2-15H,1H3,(H,33,34)(H2,35,36,37)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446267
PNG
(CHEMBL3109211)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C28H20F4N4O3S/c1-40(38,39)21-7-3-4-16(11-21)18-12-22-23(15-34-26(22)33-14-18)17-5-2-6-20(10-17)35-27(37)36-25-13-19(28(30,31)32)8-9-24(25)29/h2-15H,1H3,(H,33,34)(H2,35,36,37)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446264
PNG
(CHEMBL3109214)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446262
PNG
(CHEMBL3109216)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(F)cc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-12-5-11(20(22,23)24)6-14(7-12)29-19(30)28-13-3-1-10(2-4-13)15-8-31-18-16(15)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446268
PNG
(CHEMBL3109210)
Show SMILES NC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C28H19F4N5O2/c29-23-8-7-19(28(30,31)32)12-24(23)37-27(39)36-20-6-2-4-16(10-20)22-14-35-26-21(22)11-18(13-34-26)15-3-1-5-17(9-15)25(33)38/h1-14H,(H2,33,38)(H,34,35)(H2,36,37,39)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446275
PNG
(CHEMBL3109204)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H19F3N4O/c28-27(29,30)20-9-5-11-22(14-20)34-26(35)33-21-10-4-8-18(12-21)24-16-32-25-23(24)13-19(15-31-25)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H2,33,34,35)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446272
PNG
(CHEMBL3109207)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15010
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-19(12-30-22(20)26-13-25-21)15-6-8-17(9-7-15)27-23(29)28-18-10-5-14-3-1-2-4-16(14)11-18/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446262
PNG
(CHEMBL3109216)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(F)cc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-12-5-11(20(22,23)24)6-14(7-12)29-19(30)28-13-3-1-10(2-4-13)15-8-31-18-16(15)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446256
PNG
(CHEMBL3109196)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446280
PNG
(CHEMBL3109200)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446258
PNG
(CHEMBL3109220)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5O2/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446255
PNG
(CHEMBL3109197)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(F)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-15-10-14(23(25,26)27)11-17(12-15)31-22(32)30-16-6-4-13(5-7-16)18-2-1-3-20-19(18)8-9-29-21(20)28/h1-12H,(H2,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446277
PNG
(CHEMBL3108785)
Show SMILES Cc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O/c1-18-7-5-11-22(13-18)30-27(32)31-23-12-6-10-20(14-23)25-17-29-26-24(25)15-21(16-28-26)19-8-3-2-4-9-19/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446272
PNG
(CHEMBL3109207)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446263
PNG
(CHEMBL3109215)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-15-6-5-12(7-14(15)20(22,23)24)29-19(30)28-11-3-1-10(2-4-11)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446260
PNG
(CHEMBL3109218)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-15-6-5-12(7-14(15)20(22,23)24)29-19(30)28-11-3-1-10(2-4-11)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446257
PNG
(CHEMBL3109221)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)no1
Show InChI InChI=1S/C20H20N6O3/c1-20(2,3)14-8-15(26-29-14)25-19(27)24-12-6-4-11(5-7-12)13-9-28-18-16(13)17(21)22-10-23-18/h4-10H,1-3H3,(H2,21,22,23)(H2,24,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446261
PNG
(CHEMBL3109217)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-16-13(20(22,23)24)2-1-3-14(16)29-19(30)28-11-6-4-10(5-7-11)12-8-31-18-15(12)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446272
PNG
(CHEMBL3109207)
Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446258
PNG
(CHEMBL3109220)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5O2/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446259
PNG
(CHEMBL3109219)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2/c1-2-13-4-3-5-16(10-13)26-21(27)25-15-8-6-14(7-9-15)17-11-28-20-18(17)19(22)23-12-24-20/h3-12H,2H2,1H3,(H2,22,23,24)(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446261
PNG
(CHEMBL3109217)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-16-13(20(22,23)24)2-1-3-14(16)29-19(30)28-11-6-4-10(5-7-11)12-8-31-18-15(12)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446254
PNG
(CHEMBL3109198)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446273
PNG
(CHEMBL3109206)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C28H22N4O2/c1-18(33)20-9-5-11-23(13-20)31-28(34)32-24-12-6-10-21(14-24)26-17-30-27-25(26)15-22(16-29-27)19-7-3-2-4-8-19/h2-17H,1H3,(H,29,30)(H2,31,32,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446276
PNG
(CHEMBL3109203)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C26H19N5O3/c32-26(30-21-10-5-11-22(14-21)31(33)34)29-20-9-4-8-18(12-20)24-16-28-25-23(24)13-19(15-27-25)17-6-2-1-3-7-17/h1-16H,(H,27,28)(H2,29,30,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446274
PNG
(CHEMBL3109205)
Show SMILES COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50293555
PNG
(1-phenyl-3-(3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C26H20N4O/c31-26(29-21-11-5-2-6-12-21)30-22-13-7-10-19(14-22)24-17-28-25-23(24)15-20(16-27-25)18-8-3-1-4-9-18/h1-17H,(H,27,28)(H2,29,30,31)
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446263
PNG
(CHEMBL3109215)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-15-6-5-12(7-14(15)20(22,23)24)29-19(30)28-11-3-1-10(2-4-11)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446271
PNG
(CHEMBL3109208)
Show SMILES O=C(NC1CCCC1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O/c30-25(28-20-10-4-5-11-20)29-21-12-6-9-18(13-21)23-16-27-24-22(23)14-19(15-26-24)17-7-2-1-3-8-17/h1-3,6-9,12-16,20H,4-5,10-11H2,(H,26,27)(H2,28,29,30)
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50293555
PNG
(1-phenyl-3-(3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C26H20N4O/c31-26(29-21-11-5-2-6-12-21)30-22-13-7-10-19(14-22)24-17-28-25-23(24)15-20(16-27-25)18-8-3-1-4-9-18/h1-17H,(H,27,28)(H2,29,30,31)
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n/an/a 600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446278
PNG
(CHEMBL3109202)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1
Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446279
PNG
(CHEMBL3109201)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446253
PNG
(CHEMBL3109195)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17F3N4O/c24-23(25,26)15-3-1-4-17(13-15)30-22(31)29-16-9-7-14(8-10-16)18-5-2-6-20-19(18)11-12-28-21(20)27/h1-13H,(H2,27,28)(H2,29,30,31)
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446256
PNG
(CHEMBL3109196)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15010
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-19(12-30-22(20)26-13-25-21)15-6-8-17(9-7-15)27-23(29)28-18-10-5-14-3-1-2-4-16(14)11-18/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 790n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50293555
PNG
(1-phenyl-3-(3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C26H20N4O/c31-26(29-21-11-5-2-6-12-21)30-22-13-7-10-19(14-22)24-17-28-25-23(24)15-20(16-27-25)18-8-3-1-4-9-18/h1-17H,(H,27,28)(H2,29,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446263
PNG
(CHEMBL3109215)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-15-6-5-12(7-14(15)20(22,23)24)29-19(30)28-11-3-1-10(2-4-11)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446260
PNG
(CHEMBL3109218)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-15-6-5-12(7-14(15)20(22,23)24)29-19(30)28-11-3-1-10(2-4-11)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446271
PNG
(CHEMBL3109208)
Show SMILES O=C(NC1CCCC1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O/c30-25(28-20-10-4-5-11-20)29-21-12-6-9-18(13-21)23-16-27-24-22(23)14-19(15-26-24)17-7-2-1-3-8-17/h1-3,6-9,12-16,20H,4-5,10-11H2,(H,26,27)(H2,28,29,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446280
PNG
(CHEMBL3109200)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446255
PNG
(CHEMBL3109197)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(F)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-15-10-14(23(25,26)27)11-17(12-15)31-22(32)30-16-6-4-13(5-7-16)18-2-1-3-20-19(18)8-9-29-21(20)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446254
PNG
(CHEMBL3109198)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446279
PNG
(CHEMBL3109201)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446281
PNG
(CHEMBL3109199)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-20-18(23(25,26)27)5-2-6-19(20)31-22(32)30-14-9-7-13(8-10-14)15-3-1-4-17-16(15)11-12-29-21(17)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a 4.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446262
PNG
(CHEMBL3109216)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(F)cc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-12-5-11(20(22,23)24)6-14(7-12)29-19(30)28-13-3-1-10(2-4-13)15-8-31-18-16(15)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446271
PNG
(CHEMBL3109208)
Show SMILES O=C(NC1CCCC1)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O/c30-25(28-20-10-4-5-11-20)29-21-12-6-9-18(13-21)23-16-27-24-22(23)14-19(15-26-24)17-7-2-1-3-8-17/h1-3,6-9,12-16,20H,4-5,10-11H2,(H,26,27)(H2,28,29,30)
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n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446258
PNG
(CHEMBL3109220)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5O2/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446261
PNG
(CHEMBL3109217)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-16-13(20(22,23)24)2-1-3-14(16)29-19(30)28-11-6-4-10(5-7-11)12-8-31-18-15(12)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446281
PNG
(CHEMBL3109199)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-20-18(23(25,26)27)5-2-6-19(20)31-22(32)30-14-9-7-13(8-10-14)15-3-1-4-17-16(15)11-12-29-21(17)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446279
PNG
(CHEMBL3109201)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50446281
PNG
(CHEMBL3109199)
Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16F4N4O/c24-20-18(23(25,26)27)5-2-6-19(20)31-22(32)30-14-9-7-13(8-10-14)15-3-1-4-17-16(15)11-12-29-21(17)28/h1-12H,(H2,28,29)(H2,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe...

ACS Med Chem Lett 4: 1238-43 (2013)


Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%